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15622-65-8 | 4H-Indol-4-one, 3-ethyl-1,5,6,7-tetrahydro-2-methyl-5-(4-morpholinylmethyl)-, hydrochloride (1:1)
CAS No: 15622-65-8 Catalog No: AG001OM4 MDL No:MFCD01718304
Product Description
Catalog Number:
AG001OM4
Chemical Name:
4H-Indol-4-one, 3-ethyl-1,5,6,7-tetrahydro-2-methyl-5-(4-morpholinylmethyl)-, hydrochloride (1:1)
CAS Number:
15622-65-8
Molecular Formula:
C16H25ClN2O2
Molecular Weight:
312.8349
MDL Number:
MFCD01718304
IUPAC Name:
3-ethyl-2-methyl-5-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroindol-4-one;hydrochloride
InChI:
InChI=1S/C16H24N2O2.ClH/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18;/h12,17H,3-10H2,1-2H3;1H
InChI Key:
GQWNECFJGBQMBO-UHFFFAOYSA-N
SMILES:
CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1.Cl
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.16g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.838g/mol
Monoisotopic Mass:
312.16g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Literature
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